CID 67848784

5pfpdfv

Structural Information

Molecular Formula
C19H19F3
SMILES
CCCCCC1=CC=C(C=C1)C(=C(C2=CC=C(C=C2)F)F)F
InChI
InChI=1S/C19H19F3/c1-2-3-4-5-14-6-8-15(9-7-14)18(21)19(22)16-10-12-17(20)13-11-16/h6-13H,2-5H2,1H3
InChIKey
KIGBRVXPKNHGCJ-UHFFFAOYSA-N
Compound name
1-[1,2-difluoro-2-(4-fluorophenyl)ethenyl]-4-pentylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

304.1439 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.15118 170.8
[M+Na]+ 327.13312 177.2
[M-H]- 303.13662 172.9
[M+NH4]+ 322.17772 185.6
[M+K]+ 343.10706 170.9
[M+H-H2O]+ 287.14116 160.2
[M+HCOO]- 349.14210 188.4
[M+CH3COO]- 363.15775 207.6
[M+Na-2H]- 325.11857 170.3
[M]+ 304.14335 167.0
[M]- 304.14445 167.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe